name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds BUD14_1CKB-8_1.PDB 5.08434 -5.39000 -0.14000 -2.44000 -9.12000 -0.51000 7.71000 -12.45000 2.50000 5.89000 3.29000 0.00000 0.00000 0.00000 0.56000 0.72000 0.00000 -0.35000 0.00000 -0.33000 0.00000 2.38000 65.00000 BUD14_1CKB-8_2.PDB 5.16293 -6.98000 -0.93000 -0.84000 -9.18000 -0.51000 7.48000 -12.78000 1.24000 5.84000 3.11000 0.00000 0.00000 0.00000 0.49000 0.76000 0.00000 -0.61000 0.00000 -0.29000 0.00000 2.38000 65.00000 BUD14_1CKB-8_3.PDB 4.95933 -6.19000 -1.36000 -2.03000 -8.65000 -1.00000 8.16000 -11.81000 2.24000 6.47000 2.78000 0.00000 0.00000 0.00000 0.18000 0.87000 0.00000 -0.64000 0.00000 -0.52000 0.00000 2.38000 65.00000 BUD14_1CKB-8_4.PDB 5.49361 -7.57000 -0.88000 -2.60000 -9.56000 -0.71000 8.20000 -13.15000 2.02000 6.73000 3.25000 0.00000 0.00000 0.00000 0.31000 0.76000 0.00000 -0.73000 0.00000 -0.44000 0.00000 2.38000 65.00000 BUD14_1CKB-8_5.PDB 4.27144 -5.86000 -0.11000 -4.36000 -8.99000 -0.69000 8.06000 -12.36000 3.12000 6.42000 3.33000 0.00000 0.00000 0.00000 0.36000 0.56000 0.00000 -0.23000 0.00000 -0.39000 0.00000 2.38000 65.00000 BUD14_1CKB-8_6.PDB 5.59987 -6.72000 -1.39000 -0.96000 -10.10000 -0.88000 9.24000 -13.67000 1.36000 6.68000 3.45000 0.00000 0.00000 0.00000 0.50000 0.97000 0.00000 -0.53000 0.00000 -0.42000 0.00000 2.38000 65.00000 BUD14_1CKB-8_7.PDB 3.89924 -5.52000 -0.90000 -0.84000 -9.57000 -0.42000 7.94000 -13.11000 2.34000 6.28000 3.34000 0.00000 0.00000 0.00000 0.25000 0.69000 0.00000 -0.55000 0.00000 -0.27000 0.00000 2.38000 65.00000 BUD14_1CKB-8_8.PDB 5.85924 -6.36000 -0.97000 -0.88000 -10.43000 -1.36000 9.07000 -14.10000 2.32000 6.78000 3.71000 0.00000 0.00000 0.00000 0.76000 0.70000 0.00000 -0.61000 0.00000 -0.66000 0.00000 2.38000 65.00000 BUD14_1CKB-8_9.PDB 6.14501 -6.03000 -0.11000 -2.54000 -7.92000 -0.41000 6.40000 -11.22000 1.53000 5.84000 2.85000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -0.28000 0.00000 -0.26000 0.00000 2.38000 65.00000 BUD14_1CKB-8_10.PDB 4.42694 -6.64000 -0.09000 -1.60000 -7.74000 -0.62000 6.19000 -11.09000 0.83000 5.41000 2.97000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.60000 0.00000 -0.39000 0.00000 2.38000 65.00000 BUD14_1CKB-8_11.PDB 4.71166 -5.72000 -0.10000 -0.04000 -7.77000 -0.18000 5.79000 -11.27000 0.74000 4.40000 3.01000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -0.28000 0.00000 -0.09000 0.00000 2.38000 65.00000 BUD14_1CKB-8_12.PDB 4.91016 -5.85000 -0.10000 -0.05000 -7.69000 -0.11000 5.63000 -11.20000 0.81000 4.21000 2.79000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -0.17000 0.00000 -0.01000 0.00000 2.38000 65.00000 BUD14_1CKB-8_13.PDB 4.57200 -6.88000 -0.12000 -2.64000 -7.59000 -0.49000 5.79000 -11.07000 1.54000 5.57000 2.60000 0.00000 0.00000 0.00000 0.07000 0.65000 0.00000 -0.29000 0.00000 -0.28000 0.00000 2.38000 65.00000 BUD14_1CKB-8_14.PDB 5.20101 -6.40000 -0.10000 -2.20000 -8.01000 -0.40000 6.31000 -11.45000 1.50000 5.85000 2.76000 0.00000 0.00000 0.00000 0.11000 0.63000 0.00000 -0.46000 0.00000 -0.30000 0.00000 2.38000 65.00000 BUD14_1CKB-8_15.PDB 4.93718 -7.31000 -1.35000 -0.92000 -8.83000 -0.97000 7.80000 -12.22000 0.93000 6.27000 2.93000 0.00000 0.00000 0.00000 0.07000 0.82000 0.00000 -0.49000 0.00000 -0.53000 0.00000 2.38000 65.00000 BUD14_1CKB-8_16.PDB 4.47154 -5.87000 -1.27000 -0.85000 -8.25000 -0.80000 7.22000 -11.61000 1.54000 6.12000 2.79000 0.00000 0.00000 0.00000 0.04000 0.77000 0.00000 -0.33000 0.00000 -0.47000 0.00000 2.38000 65.00000 BUD14_1CKB-8_17.PDB 5.04120 -7.20000 -1.33000 -2.66000 -8.82000 -0.98000 8.22000 -12.06000 1.68000 6.74000 3.10000 0.00000 0.00000 0.00000 0.08000 0.78000 0.00000 -0.65000 0.00000 -0.51000 0.00000 2.38000 65.00000 BUD14_1CKB-8_18.PDB 4.74806 -5.95000 -0.07000 -2.46000 -8.12000 -0.47000 6.57000 -11.44000 1.63000 5.87000 3.11000 0.00000 0.00000 0.00000 0.10000 0.67000 0.00000 -0.37000 0.00000 -0.30000 0.00000 2.38000 65.00000 BUD14_1CKB-8_19.PDB 4.97907 -6.37000 -1.35000 -0.92000 -8.65000 -0.89000 7.97000 -11.91000 1.07000 6.27000 3.03000 0.00000 0.00000 0.00000 0.06000 0.78000 0.00000 -0.54000 0.00000 -0.52000 0.00000 2.38000 65.00000 BUD14_1CKB-8_20.PDB 5.02414 -6.39000 -0.99000 -0.92000 -8.85000 -1.26000 7.50000 -12.45000 1.93000 6.43000 3.17000 0.00000 0.00000 0.00000 0.22000 0.61000 0.00000 -0.54000 0.00000 -0.64000 0.00000 2.38000 65.00000 BUD14_1CKB-8_21.PDB 5.13669 -8.13000 -1.34000 -2.41000 -8.70000 -0.93000 7.88000 -11.97000 0.89000 6.69000 3.00000 0.00000 0.00000 0.00000 0.09000 0.77000 0.00000 -0.82000 0.00000 -0.53000 0.00000 2.38000 65.00000 BUD14_1CKB-8_22.PDB 4.32464 -6.72000 -0.11000 -2.63000 -7.65000 -0.51000 5.99000 -11.05000 1.51000 5.80000 2.51000 0.00000 0.00000 0.00000 0.07000 0.65000 0.00000 -0.33000 0.00000 -0.33000 0.00000 2.38000 65.00000 BUD14_1CKB-8_23.PDB 6.36625 -5.63000 -0.97000 -0.92000 -8.85000 -1.10000 7.10000 -12.46000 2.93000 6.53000 3.08000 0.00000 0.00000 0.00000 0.27000 0.62000 0.00000 -0.61000 0.00000 -0.64000 0.00000 2.38000 65.00000 BUD14_1CKB-8_24.PDB 5.34883 -5.53000 -0.98000 -0.92000 -8.34000 -0.54000 6.52000 -11.93000 2.52000 6.07000 2.85000 0.00000 0.00000 0.00000 0.25000 0.64000 0.00000 -0.66000 0.00000 -0.36000 0.00000 2.38000 65.00000 BUD14_1CKB-8_25.PDB 5.00915 1.72000 -0.12000 -1.50000 -8.77000 -0.07000 7.86000 -11.99000 8.99000 4.62000 2.92000 0.00000 0.00000 0.00000 0.27000 0.72000 0.00000 -0.32000 0.00000 -0.19000 0.00000 2.38000 65.00000 BUD14_1CKB-8_26.PDB 5.99272 1.02000 -0.15000 -1.32000 -9.31000 -0.12000 8.52000 -12.47000 8.54000 4.28000 2.98000 0.00000 0.00000 0.00000 0.52000 0.81000 0.00000 -0.27000 0.00000 -0.19000 0.00000 2.38000 65.00000 BUD14_1CKB-8_27.PDB 5.28056 -7.18000 -0.97000 -2.63000 -9.93000 -0.66000 8.96000 -13.32000 1.81000 6.98000 3.41000 0.00000 0.00000 0.00000 0.22000 0.71000 0.00000 -0.63000 0.00000 -0.43000 0.00000 2.38000 65.00000 BUD14_1CKB-8_28.PDB 5.46136 -6.08000 -1.33000 -2.60000 -9.35000 -0.70000 9.46000 -12.36000 1.40000 6.82000 3.28000 0.00000 0.00000 0.00000 0.20000 0.74000 0.00000 -0.38000 0.00000 -0.52000 0.00000 2.38000 65.00000 BUD14_1CKB-8_29.PDB 5.18689 0.96000 -0.99000 -2.65000 -9.39000 -0.50000 8.66000 -12.38000 9.47000 5.93000 3.50000 0.00000 0.00000 0.00000 0.17000 0.97000 0.00000 -0.35000 0.00000 -0.52000 0.00000 2.38000 65.00000 BUD14_1CKB-8_30.PDB 4.38152 -6.62000 -0.11000 -2.61000 -7.66000 -0.24000 6.53000 -10.91000 0.59000 5.70000 2.62000 0.00000 0.00000 0.00000 0.02000 0.58000 0.00000 -0.22000 0.00000 -0.32000 0.00000 2.38000 65.00000